2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide

C10H19NO2 — CID 40517906

IUPAC2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide
SMILESCC[C@H]1C[C@H](CC(=O)NO)C1(C)C
InChIInChI=1S/C10H19NO2/c1-4-7-5-8(10(7,2)3)6-9(12)11-13/h7-8,13H,4-6H2,1-3H3,(H,11,12)/t7-,8+/m0/s1
InChIKeyGNHSELADFGFDLB-JGVFFNPUSA-N
MW185.27 g/mol
LogP1.95
Rot. Bonds3

About 2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide

2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide (PubChem CID 40517906) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide
PubChem CID40517906
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide
SMILESCC[C@H]1C[C@H](CC(=O)NO)C1(C)C
InChIInChI=1S/C10H19NO2/c1-4-7-5-8(10(7,2)3)6-9(12)11-13/h7-8,13H,4-6H2,1-3H3,(H,11,12)/t7-,8+/m0/s1
InChIKeyGNHSELADFGFDLB-JGVFFNPUSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide
CID 40517907
2,4-diethyl-1,1-dimethylcyclobutane;methane
CID 156895183
1-[(1S,3R)-2,2-dimethyl-3-(2-oxoheptyl)cyclobutyl]-5,5-dimethylhexan-2-one
CID 139254519
1-[[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]methyl]-3-(4-iodophenyl)urea
CID 40538203
2-ethyl-1,1,4-trimethylcyclobutane
CID 91404893
2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide
CID 170908368
2-[3-(3-hydroxy-2-oxopropyl)-2,2-dimethylcyclobutyl]acetaldehyde
CID 102121149
1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine
CID 90762745
1-[(2S)-butan-2-yl]-1-[(2R)-butan-2-yl]-3-[[(1S,3R)-3-[[[[(2S)-butan-2-yl]-[(2R)-butan-2-yl]carbamoyl]amino]methyl]-2,2-dimethylcyclobutyl]methyl]urea
CID 124773117
N-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine
CID 13028981
3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 77387151
2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide
CID 4105242

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide?
The IUPAC name of 2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide (CID 40517906) is 2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide?
The canonical SMILES for 2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide is CC[C@H]1C[C@H](CC(=O)NO)C1(C)C.
What is the InChIKey of 2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide?
The InChIKey is GNHSELADFGFDLB-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7-5-8(10(7,2)3)6-9(12)11-13/h7-8,13H,4-6H2,1-3H3,(H,11,12)/t7-,8+/m0/s1.
What are the key properties of 2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide?
2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide has a molecular weight of 185.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide is sourced from PubChem (CID 40517906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).